袋衣酸
TL;DR: 袋衣酸 (CAS 84-24-2) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
袋衣酸
3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Physodic acid, Physodalin, Physodalic acid, Physodinsaeure, Faisodic acid
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 84-24-2 |
|---|---|
| SMILES | CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O |
| InChIKey | KVTYWHGIZSCFLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
袋衣酸 (CAS 84-24-2), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: 3,9-dihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of 袋衣酸
Property Insights of 袋衣酸
The XLogP value of 6.3 indicates that 袋衣酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 袋衣酸. Following Lipinski's Rule of Five, 袋衣酸 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 袋衣酸?
The CAS number of 袋衣酸 is 84-24-2.
What is the molecular formula of 袋衣酸?
The molecular formula of 袋衣酸 is C26H30O8.
What is the molecular weight of 袋衣酸?
The molecular weight of 袋衣酸 is 470.19 g/mol.
Where can I buy 袋衣酸?
You can request a quote for 袋衣酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 袋衣酸?
Yes, KEHONG BIO provides custom synthesis services for 袋衣酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.